1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H18F2N2O2S — CID 103150635

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)F)nc1COC
InChIInChI=1S/C11H18F2N2O2S/c1-14-5-9-8(6-16-2)15-11(18-9)3-4-17-7-10(12)13/h10,14H,3-7H2,1-2H3
InChIKeyJCFXUWIIQYTQHJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.83
Rot. Bonds9

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103150635) has the molecular formula C11H18F2N2O2S and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103150635
Molecular FormulaC11H18F2N2O2S
Molecular Weight280.34 g/mol
Exact Mass280.11
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)F)nc1COC
InChIInChI=1S/C11H18F2N2O2S/c1-14-5-9-8(6-16-2)15-11(18-9)3-4-17-7-10(12)13/h10,14H,3-7H2,1-2H3
InChIKeyJCFXUWIIQYTQHJ-UHFFFAOYSA-N
XLogP1.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103150635) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CCOCC(F)F)nc1COC.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is JCFXUWIIQYTQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2S/c1-14-5-9-8(6-16-2)15-11(18-9)3-4-17-7-10(12)13/h10,14H,3-7H2,1-2H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 280.34 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103150635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).